1,7-bis[ethenyl(dimethyl)silyl]-4-fluoroheptan-4-ol

C15H31FOSi2 — CID 177269365

IUPAC1,7-bis[ethenyl(dimethyl)silyl]-4-fluoroheptan-4-ol
SMILESC=C[Si](C)(C)CCCC(O)(F)CCC[Si](C)(C)C=C
InChIInChI=1S/C15H31FOSi2/c1-7-18(3,4)13-9-11-15(16,17)12-10-14-19(5,6)8-2/h7-8,17H,1-2,9-14H2,3-6H3
InChIKeyQLOXKNYRKPLPAD-UHFFFAOYSA-N
MW302.58 g/mol
LogP5.07
Rot. Bonds10

About 1,7-bis[ethenyl(dimethyl)silyl]-4-fluoroheptan-4-ol

1,7-bis[ethenyl(dimethyl)silyl]-4-fluoroheptan-4-ol (PubChem CID 177269365) has the molecular formula C15H31FOSi2 and a molecular weight of 302.58 g/mol. Its IUPAC name is 1,7-bis[ethenyl(dimethyl)silyl]-4-fluoroheptan-4-ol.

Molecular Properties

Compound Name1,7-bis[ethenyl(dimethyl)silyl]-4-fluoroheptan-4-ol
PubChem CID177269365
Molecular FormulaC15H31FOSi2
Molecular Weight302.58 g/mol
Exact Mass302.19
IUPAC Name1,7-bis[ethenyl(dimethyl)silyl]-4-fluoroheptan-4-ol
SMILESC=C[Si](C)(C)CCCC(O)(F)CCC[Si](C)(C)C=C
InChIInChI=1S/C15H31FOSi2/c1-7-18(3,4)13-9-11-15(16,17)12-10-14-19(5,6)8-2/h7-8,17H,1-2,9-14H2,3-6H3
InChIKeyQLOXKNYRKPLPAD-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.58
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,7-bis[ethenyl(dimethyl)silyl]-4-fluoroheptan-4-ol?
The IUPAC name of 1,7-bis[ethenyl(dimethyl)silyl]-4-fluoroheptan-4-ol (CID 177269365) is 1,7-bis[ethenyl(dimethyl)silyl]-4-fluoroheptan-4-ol.
What is the SMILES notation for 1,7-bis[ethenyl(dimethyl)silyl]-4-fluoroheptan-4-ol?
The canonical SMILES for 1,7-bis[ethenyl(dimethyl)silyl]-4-fluoroheptan-4-ol is C=C[Si](C)(C)CCCC(O)(F)CCC[Si](C)(C)C=C.
What is the InChIKey of 1,7-bis[ethenyl(dimethyl)silyl]-4-fluoroheptan-4-ol?
The InChIKey is QLOXKNYRKPLPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FOSi2/c1-7-18(3,4)13-9-11-15(16,17)12-10-14-19(5,6)8-2/h7-8,17H,1-2,9-14H2,3-6H3.
What are the key properties of 1,7-bis[ethenyl(dimethyl)silyl]-4-fluoroheptan-4-ol?
1,7-bis[ethenyl(dimethyl)silyl]-4-fluoroheptan-4-ol has a molecular weight of 302.58 g/mol, XLogP of 5.07, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis[ethenyl(dimethyl)silyl]-4-fluoroheptan-4-ol is sourced from PubChem (CID 177269365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).